Recent Advances in Understanding Structural Dynamics in Metal Halide Perovskites Using Solid-State NMR
Dominik Kubicki a
a Department of Physics, University of Warwick, CV47AL, Coventry, United Kingdom
Proceedings of Dynamic Materials, Crystals and Phenomena Conference (DynaMIC23)
Fribourg, Switzerland, 2023 March 22nd - 24th
Organizers: Jovana Milic and Simon Krause
Invited Speaker, Dominik Kubicki, presentation 019
Publication date: 15th February 2023

Solid-state NMR is one of the most versatile methods to study dynamics in solid materials, covering processes occurring on timescales from picoseconds to seconds, in an element-specific manner [1]. In metal halide perovskites, the dynamic processes include tumbling of the organic A-site cation in 3D materials, librations of the organic spacer cations in layered (2D/3D) materials and halide diffusion. These processes can affect optoelectronic properties in a variety of ways. For example, photogenerated charge carriers are stabilized as polarons on the inorganic metal halide sublattice, and the dynamics of that sublattice (phonons) is strongly coupled to the motional degrees of freedom of the A-site cation [2,3,4]. The motional degrees of freedom of organic spacer cations have been explored as a proxy for structural adaptability, a key concept in supramolecular chemistry [5]. Finally, halide diffusion gives rise to pernicious phenomena, such as light-induced halide segregation and voltage-current hysteresis [6,7].

I will discuss how solid-state NMR can be used to study these types of phenomena and give an overview of the most recent studies of A-site cation, spacer and halide dynamics in metal halide perovskites.


I am indebted to the University of Warwick for their support during my first year as an independent early career researcher.

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